Geometry & MOs

Info

ID:	207802
PubChem CID:	80451586
Reduced:	S2N3C10H19 (1)
Stoich.:	A2B3C10D19 (1)
Weight, g/mol:	258.072594
ΔH_f, kcal/mol:	16.71
Dipole, Da:	3.61
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)sulfonyl-3-methylpentan-2-one

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SCC(C(C)CC)N

DOS

IR

Vibrations